Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Catalog ID
STL039828
SMILES C=CCn1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)nc2c(c1=O)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H26N4O2S MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S/c1-2-15-32-26(34)20-11-5-6-12-21(20)29-27(32)35-17-22-30-24-19-10-4-3-9-18(19)16-28(13-7-8-14-28)23(24)25(33)31-22/h2-6,9-12H,1,7-8,13-17H2,(H,30,31,33)InChIKey
USXYGXASFKTQKF-UHFFFAOYSA-NSynonyms
384377-23-52(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(prop2en1yl)quinazolin4(3H)one
2((4OXO3PROP2ENYLQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
384377235
C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C5=CC=CC=C5CC46CCCC6
InChI=1SC28H26N4O2Sc12153226(34)2011561221(20)2927(32)3517223024191043918(19)1628(13781428)23(24)25(33)3122h26912H1781317H2(H303133)
MFCD03811532
ZINC000009067014
ZINC09067014
ZINC9067014
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